fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid

C10H15FmN2O5- — CID 171810743

IUPACfermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid
SMILESC=CCOC(=O)N(C)CC(C)(N[C-]=O)C(=O)O.[Fm]
InChIInChI=1S/C10H15N2O5.Fm/c1-4-5-17-9(16)12(3)6-10(2,8(14)15)11-7-13;/h4H,1,5-6H2,2-3H3,(H,11,13)(H,14,15);/q-1;
InChIKeyJKUWWOXJQDVMJI-UHFFFAOYSA-N
MW500.24 g/mol
LogP-0.26
Rot. Bonds7

About fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid

fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid (PubChem CID 171810743) has the molecular formula C10H15FmN2O5- and a molecular weight of 500.24 g/mol. Its IUPAC name is fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid.

Molecular Properties

Compound Namefermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid
PubChem CID171810743
Molecular FormulaC10H15FmN2O5-
Molecular Weight500.24 g/mol
Exact Mass500.19
IUPAC Namefermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid
SMILESC=CCOC(=O)N(C)CC(C)(N[C-]=O)C(=O)O.[Fm]
InChIInChI=1S/C10H15N2O5.Fm/c1-4-5-17-9(16)12(3)6-10(2,8(14)15)11-7-13;/h4H,1,5-6H2,2-3H3,(H,11,13)(H,14,15);/q-1;
InChIKeyJKUWWOXJQDVMJI-UHFFFAOYSA-N
XLogP-0.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid?
The IUPAC name of fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid (CID 171810743) is fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid.
What is the SMILES notation for fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid?
The canonical SMILES for fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid is C=CCOC(=O)N(C)CC(C)(N[C-]=O)C(=O)O.[Fm].
What is the InChIKey of fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid?
The InChIKey is JKUWWOXJQDVMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O5.Fm/c1-4-5-17-9(16)12(3)6-10(2,8(14)15)11-7-13;/h4H,1,5-6H2,2-3H3,(H,11,13)(H,14,15);/q-1;.
What are the key properties of fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid?
fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid has a molecular weight of 500.24 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid is sourced from PubChem (CID 171810743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).